Chlorine in PDB 6ch4: Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium

Enzymatic activity of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium

All present enzymatic activity of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium:
2.7.1.190;

Protein crystallography data

The structure of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium, PDB code: 6ch4 was solved by S.J.Caldwell, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 58.89 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 90.430, 99.910, 93.200, 90.00, 105.17, 90.00
R / Rfree (%) 17 / 21

Other elements in 6ch4:

The structure of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium (pdb code 6ch4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium, PDB code: 6ch4:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6ch4

Go back to Chlorine Binding Sites List in 6ch4
Chlorine binding site 1 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:79.3
occ:1.00
NE2 A:GLN462 3.1 72.7 1.0
O A:HOH1107 3.3 69.3 1.0
NH1 A:ARG469 3.4 53.2 1.0
CG2 A:ILE465 3.8 50.3 1.0
N A:GLU466 3.9 48.2 1.0
CA A:GLU466 3.9 53.8 1.0
CD A:ARG469 4.0 46.6 1.0
CB A:GLU466 4.0 61.2 1.0
CG A:GLU466 4.2 69.9 1.0
CD A:GLN462 4.2 73.2 1.0
CZ A:ARG469 4.3 47.5 1.0
C A:ILE465 4.3 48.1 1.0
CB A:ILE465 4.4 50.1 1.0
NE A:ARG469 4.5 46.4 1.0
CG A:GLN462 4.6 72.6 1.0
O A:ILE465 4.7 46.8 1.0
O A:GLN462 4.7 62.3 1.0
O A:HOH1049 4.9 57.0 1.0

Chlorine binding site 2 out of 3 in 6ch4

Go back to Chlorine Binding Sites List in 6ch4
Chlorine binding site 2 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:75.0
occ:1.00
NE2 B:GLN462 3.0 67.5 1.0
NH1 B:ARG469 3.4 44.1 1.0
O B:HOH1107 3.4 56.6 1.0
O B:HOH1049 3.5 64.8 1.0
CG2 B:ILE465 3.6 44.8 1.0
CG B:GLU466 3.6 69.6 1.0
CD B:ARG469 3.9 39.9 1.0
N B:GLU466 4.1 49.5 1.0
CA B:GLU466 4.2 57.6 1.0
CD B:GLN462 4.3 69.6 1.0
CZ B:ARG469 4.3 43.4 1.0
CB B:ILE465 4.3 43.9 1.0
CB B:GLU466 4.5 64.7 1.0
C B:ILE465 4.5 47.6 1.0
NE B:ARG469 4.5 41.4 1.0
O B:ILE465 4.8 49.9 1.0
CG B:GLN462 4.8 69.3 1.0
CD B:GLU466 4.8 83.5 1.0
O B:GLN462 5.0 61.6 1.0

Chlorine binding site 3 out of 3 in 6ch4

Go back to Chlorine Binding Sites List in 6ch4
Chlorine binding site 3 out of 3 in the Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Aminoglycoside Phosphotransferase (2'')-Ia S376N Mutant in Complex with Gmppnp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl802

b:71.0
occ:1.00
NE2 C:GLN462 3.2 60.0 1.0
NH1 C:ARG469 3.4 39.0 1.0
CG2 C:ILE465 3.8 37.5 1.0
N C:GLU466 3.8 39.9 1.0
CA C:GLU466 3.9 43.1 1.0
CD C:ARG469 3.9 32.8 1.0
CB C:GLU466 4.0 50.0 1.0
O C:HOH1049 4.2 62.8 1.0
C C:ILE465 4.3 37.4 1.0
CZ C:ARG469 4.3 35.9 1.0
CG C:GLU466 4.4 62.7 1.0
CD C:GLN462 4.4 63.2 1.0
CB C:ILE465 4.4 36.7 1.0
NE C:ARG469 4.5 32.2 1.0
O C:ILE465 4.6 36.0 1.0
CG C:GLN462 4.7 61.8 1.0
O C:GLN462 4.7 44.9 1.0

Reference:

S.J.Caldwell, A.M.Berghuis. Plasticity of Aminoglycoside Binding to Antibiotic Kinase Aph(2′′)-Ia. Antimicrob. Agents V. 62 2018CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 29661878
DOI: 10.1128/AAC.00202-18
Page generated: Sat Dec 12 12:49:36 2020

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